3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea

C17H26N4O4 — CID 131642141

IUPAC3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)CO2
InChIInChI=1S/C17H26N4O4/c1-11-14(12(2)25-19-11)15(22)21-7-5-17(6-8-21)9-13(10-24-17)18-16(23)20(3)4/h13H,5-10H2,1-4H3,(H,18,23)
InChIKeyOWVLMPXTCDIOTM-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.33
Rot. Bonds2

About 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea

3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea (PubChem CID 131642141) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
PubChem CID131642141
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)CO2
InChIInChI=1S/C17H26N4O4/c1-11-14(12(2)25-19-11)15(22)21-7-5-17(6-8-21)9-13(10-24-17)18-16(23)20(3)4/h13H,5-10H2,1-4H3,(H,18,23)
InChIKeyOWVLMPXTCDIOTM-UHFFFAOYSA-N
XLogP1.33
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea with MolForge

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Related Compounds

4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
N-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446266
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 131662056
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97422180
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494034
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131680767
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125770
(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125024247
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 120817861

Frequently Asked Questions

What is the IUPAC name of 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea?
The IUPAC name of 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea (CID 131642141) is 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea is Cc1noc(C)c1C(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)CO2.
What is the InChIKey of 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea?
The InChIKey is OWVLMPXTCDIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-11-14(12(2)25-19-11)15(22)21-7-5-17(6-8-21)9-13(10-24-17)18-16(23)20(3)4/h13H,5-10H2,1-4H3,(H,18,23).
What are the key properties of 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea?
3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea has a molecular weight of 350.42 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea is sourced from PubChem (CID 131642141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).